N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide

C9H13FN2O2S — CID 39248117

IUPACN-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(F)c(N)c1)S(C)(=O)=O
InChIInChI=1S/C9H13FN2O2S/c1-3-12(15(2,13)14)7-4-5-8(10)9(11)6-7/h4-6H,3,11H2,1-2H3
InChIKeyFAJBLVBQTGHNOR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.19
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide

N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide (PubChem CID 39248117) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide
PubChem CID39248117
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC NameN-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(F)c(N)c1)S(C)(=O)=O
InChIInChI=1S/C9H13FN2O2S/c1-3-12(15(2,13)14)7-4-5-8(10)9(11)6-7/h4-6H,3,11H2,1-2H3
InChIKeyFAJBLVBQTGHNOR-UHFFFAOYSA-N
XLogP1.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-fluorophenyl)-N-ethyl-2-methylbenzenesulfonamide
CID 39444309
1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine
CID 39237480
3-amino-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733553
N-ethyl-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 149210382
ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
CID 2219448
N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide
CID 39444297
1-N,1-N-diethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831943
3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 28548784
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide
CID 61139821
N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide
CID 39358343
4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine
CID 39377081

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide (CID 39248117) is N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide is CCN(c1ccc(F)c(N)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide?
The InChIKey is FAJBLVBQTGHNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-3-12(15(2,13)14)7-4-5-8(10)9(11)6-7/h4-6H,3,11H2,1-2H3.
What are the key properties of N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide?
N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide has a molecular weight of 232.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 39248117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).